(2S)-6-hydroxy-2-methylhexanal

C7H14O2 — CID 129362666

IUPAC(2S)-6-hydroxy-2-methylhexanal
SMILESCC(C=O)CCCCO
InChIInChI=1S/C7H14O2/c1-7(6-9)4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyPOVAULBJEYDCRZ-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.98
Rot. Bonds5

About (2S)-6-hydroxy-2-methylhexanal

(2S)-6-hydroxy-2-methylhexanal (PubChem CID 129362666) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-6-hydroxy-2-methylhexanal.

Molecular Properties

Compound Name(2S)-6-hydroxy-2-methylhexanal
PubChem CID129362666
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S)-6-hydroxy-2-methylhexanal
SMILESCC(C=O)CCCCO
InChIInChI=1S/C7H14O2/c1-7(6-9)4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyPOVAULBJEYDCRZ-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-2-methylnonanal
CID 140839746
15-hydroxy-2-methylpentadecanal
CID 140839749
2,9-dimethyldecanal
CID 21437669
2-methyldodecanal
CID 87784106
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
CID 86639480
(E)-7-methyldec-8-en-1-ol
CID 87112464
2-methyl-6-oxoheptanal
CID 14561323
methyl 6-methyl-7-oxoheptanoate
CID 19897350
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
magnesium;hydride;2-methylhexanal
CID 175489752
2-methylundec-10-enal
CID 547085
2-methyl-6-methylsulfonylhexanal
CID 64663891

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-2-methylhexanal?
The IUPAC name of (2S)-6-hydroxy-2-methylhexanal (CID 129362666) is (2S)-6-hydroxy-2-methylhexanal.
What is the SMILES notation for (2S)-6-hydroxy-2-methylhexanal?
The canonical SMILES for (2S)-6-hydroxy-2-methylhexanal is CC(C=O)CCCCO.
What is the InChIKey of (2S)-6-hydroxy-2-methylhexanal?
The InChIKey is POVAULBJEYDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(6-9)4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of (2S)-6-hydroxy-2-methylhexanal?
(2S)-6-hydroxy-2-methylhexanal has a molecular weight of 130.19 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-2-methylhexanal is sourced from PubChem (CID 129362666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).